Monday, May 27, 2013

All Chemical Compounds Information




Product OPENEYE NAME: (E)-3-(5-chloro-2-thienyl)-N-(2-pyridyl)prop-2-enamide
CAS Name: (E)-3-(5-chloro-2-thiophenyl)-N-(2-pyridinyl)-2-propenamide
IUPAC NAME: (E)-3-(5-chlorothiophen-2-yl)-N-pyridin-2-ylprop-2-enamide
SYSTEMATIC NAME: (E)-3-(5-chloranylthiophen-2-yl)-N-pyridin-2-yl-prop-2-enamide
MOLECULAR FORMULA: C12H9ClN2OS
MOLECULAR WEIGHT: 264.73066
SMILES: C1=CC=NC(=C1)NC(=O)/C=C/C2=CC=C(S2)Cl
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Product OPENEYE NAME: 2-[[4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-pyridyl)acetamide
CAS Name: 2-[[4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]thio]-N-(2-pyridinyl)acetamide
IUPAC NAME: 2-[[4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-2-ylacetamide
SYSTEMATIC NAME: 2-[[4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-2-yl-ethanamide
MOLECULAR FORMULA: C17H17N5OS
MOLECULAR WEIGHT: 339.41478
SMILES: CC1=C(C=C(C=C1)N2C=NN=C2SCC(=O)NC3=CC=CC=N3)C
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Product OPENEYE NAME: 6-bromo-N-(2-pyridyl)-2H-chromene-3-carboxamide
CAS Name: 6-bromo-N-(2-pyridinyl)-2H-1-benzopyran-3-carboxamide
IUPAC NAME: 6-bromo-N-pyridin-2-yl-2H-chromene-3-carboxamide
SYSTEMATIC NAME: 6-bromanyl-N-pyridin-2-yl-2H-chromene-3-carboxamide
MOLECULAR FORMULA: C15H11BrN2O2
MOLECULAR WEIGHT: 331.16404
SMILES: C1C(=CC2=C(O1)C=CC(=C2)Br)C(=O)NC3=CC=CC=N3
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Product OPENEYE NAME: 2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-pyridyl)acetamide
CAS Name: 2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(2-pyridinyl)acetamide
IUPAC NAME: 2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-2-ylacetamide
SYSTEMATIC NAME: 2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-2-yl-ethanamide
MOLECULAR FORMULA: C16H15N5O2S
MOLECULAR WEIGHT: 341.3876
SMILES: COC1=CC=C(C=C1)N2C=NN=C2SCC(=O)NC3=CC=CC=N3
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Product OPENEYE NAME: (E)-3-[5-(4-fluorophenyl)-2-thienyl]-N-(2-pyridyl)prop-2-enamide
CAS Name: (E)-3-[5-(4-fluorophenyl)-2-thiophenyl]-N-(2-pyridinyl)-2-propenamide
IUPAC NAME: (E)-3-[5-(4-fluorophenyl)thiophen-2-yl]-N-pyridin-2-ylprop-2-enamide
SYSTEMATIC NAME: (E)-3-[5-(4-fluorophenyl)thiophen-2-yl]-N-pyridin-2-yl-prop-2-enamide
MOLECULAR FORMULA: C18H13FN2OS
MOLECULAR WEIGHT: 324.372023
SMILES: C1=CC=NC(=C1)NC(=O)/C=C/C2=CC=C(S2)C3=CC=C(C=C3)F
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Product OPENEYE NAME: 2-(2-furylmethylsulfanyl)-N-(6-methyl-2-pyridyl)benzamide
CAS Name: 2-(2-furanylmethylthio)-N-(6-methyl-2-pyridinyl)benzamide
IUPAC NAME: 2-(furan-2-ylmethylsulfanyl)-N-(6-methylpyridin-2-yl)benzamide
SYSTEMATIC NAME: 2-(furan-2-ylmethylsulfanyl)-N-(6-methylpyridin-2-yl)benzamide
MOLECULAR FORMULA: C18H16N2O2S
MOLECULAR WEIGHT: 324.39684
SMILES: CC1=NC(=CC=C1)NC(=O)C2=CC=CC=C2SCC3=CC=CO3
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Product OPENEYE NAME: tert-butyl (2R)-2-(2-quinolylcarbamoyl)pyrrolidine-1-carboxylate
CAS Name: (2R)-2-[oxo-(2-quinolinylamino)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl (2R)-2-(quinolin-2-ylcarbamoyl)pyrrolidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl (2R)-2-(quinolin-2-ylcarbamoyl)pyrrolidine-1-carboxylate
MOLECULAR FORMULA: C19H23N3O3
MOLECULAR WEIGHT: 341.40422
SMILES: CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC2=NC3=CC=CC=C3C=C2
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Product OPENEYE NAME: tert-butyl (2S)-2-(2-quinolylcarbamoyl)pyrrolidine-1-carboxylate
CAS Name: (2S)-2-[oxo-(2-quinolinylamino)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl (2S)-2-(quinolin-2-ylcarbamoyl)pyrrolidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl (2S)-2-(quinolin-2-ylcarbamoyl)pyrrolidine-1-carboxylate
MOLECULAR FORMULA: C19H23N3O3
MOLECULAR WEIGHT: 341.40422
SMILES: CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC2=NC3=CC=CC=C3C=C2
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Product OPENEYE NAME: 3-methylsulfanyl-N-(2-quinolyl)propanamide
CAS Name: 3-(methylthio)-N-(2-quinolinyl)propanamide
IUPAC NAME: 3-methylsulfanyl-N-quinolin-2-ylpropanamide
SYSTEMATIC NAME: 3-methylsulfanyl-N-quinolin-2-yl-propanamide
MOLECULAR FORMULA: C13H14N2OS
MOLECULAR WEIGHT: 246.32806
SMILES: CSCCC(=O)NC1=NC2=CC=CC=C2C=C1
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Product OPENEYE NAME: (2R)-2-[(4-fluorophenyl)methylcarbamoylamino]-3-methyl-N-(5-quinolyl)butanamide
CAS Name: (2R)-2-[[[(4-fluorophenyl)methylamino]-oxomethyl]amino]-3-methyl-N-(5-quinolinyl)butanamide
IUPAC NAME: (2R)-2-[(4-fluorophenyl)methylcarbamoylamino]-3-methyl-N-quinolin-5-ylbutanamide
SYSTEMATIC NAME: (2R)-2-[(4-fluorophenyl)methylcarbamoylamino]-3-methyl-N-quinolin-5-yl-butanamide
MOLECULAR FORMULA: C22H23FN4O2
MOLECULAR WEIGHT: 394.442023
SMILES: CC(C)[C@H](C(=O)NC1=CC=CC2=C1C=CC=N2)NC(=O)NCC3=CC=C(C=C3)F
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Product OPENEYE NAME: (2S)-2-[(4-fluorophenyl)methylcarbamoylamino]-3-methyl-N-(5-quinolyl)butanamide
CAS Name: (2S)-2-[[[(4-fluorophenyl)methylamino]-oxomethyl]amino]-3-methyl-N-(5-quinolinyl)butanamide
IUPAC NAME: (2S)-2-[(4-fluorophenyl)methylcarbamoylamino]-3-methyl-N-quinolin-5-ylbutanamide
SYSTEMATIC NAME: (2S)-2-[(4-fluorophenyl)methylcarbamoylamino]-3-methyl-N-quinolin-5-yl-butanamide
MOLECULAR FORMULA: C22H23FN4O2
MOLECULAR WEIGHT: 394.442023
SMILES: CC(C)[C@@H](C(=O)NC1=CC=CC2=C1C=CC=N2)NC(=O)NCC3=CC=C(C=C3)F
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Product OPENEYE NAME: (4R)-1-methyl-4-[4-(4-pyridylmethyl)piperazine-1-carbonyl]-3,4-dihydroquinolin-2-one
CAS Name: (4R)-1-methyl-4-[oxo-[4-(pyridin-4-ylmethyl)-1-piperazinyl]methyl]-3,4-dihydroquinolin-2-one
IUPAC NAME: (4R)-1-methyl-4-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]-3,4-dihydroquinolin-2-one
SYSTEMATIC NAME: (4R)-1-methyl-4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]carbonyl-3,4-dihydroquinolin-2-one
MOLECULAR FORMULA: C21H24N4O2
MOLECULAR WEIGHT: 364.44086
SMILES: CN1C(=O)C[C@H](C2=CC=CC=C21)C(=O)N3CCN(CC3)CC4=CC=NC=C4
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Product OPENEYE NAME: (4S)-1-methyl-4-[4-(4-pyridylmethyl)piperazine-1-carbonyl]-3,4-dihydroquinolin-2-one
CAS Name: (4S)-1-methyl-4-[oxo-[4-(pyridin-4-ylmethyl)-1-piperazinyl]methyl]-3,4-dihydroquinolin-2-one
IUPAC NAME: (4S)-1-methyl-4-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]-3,4-dihydroquinolin-2-one
SYSTEMATIC NAME: (4S)-1-methyl-4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]carbonyl-3,4-dihydroquinolin-2-one
MOLECULAR FORMULA: C21H24N4O2
MOLECULAR WEIGHT: 364.44086
SMILES: CN1C(=O)C[C@@H](C2=CC=CC=C21)C(=O)N3CCN(CC3)CC4=CC=NC=C4
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Product OPENEYE NAME: 2-[4-[2-(2-phenylethylsulfanyl)acetyl]piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide
CAS Name: N-(4-methylphenyl)-2-[4-[1-oxo-2-(2-phenylethylthio)ethyl]-1-piperazin-1-iumyl]acetamide
IUPAC NAME: N-(4-methylphenyl)-2-[4-[2-(2-phenylethylsulfanyl)acetyl]piperazin-1-ium-1-yl]acetamide
SYSTEMATIC NAME: N-(4-methylphenyl)-2-[4-[2-(2-phenylethylsulfanyl)ethanoyl]piperazin-1-ium-1-yl]ethanamide
MOLECULAR FORMULA: C23H30N3O2S+
MOLECULAR WEIGHT: 412.5682
SMILES: CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)CSCCC3=CC=CC=C3
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Product OPENEYE NAME: 2-[4-[2-(2-phenylethylsulfanyl)acetyl]piperazin-1-yl]-N-(p-tolyl)acetamide
CAS Name: N-(4-methylphenyl)-2-[4-[1-oxo-2-(2-phenylethylthio)ethyl]-1-piperazinyl]acetamide
IUPAC NAME: N-(4-methylphenyl)-2-[4-[2-(2-phenylethylsulfanyl)acetyl]piperazin-1-yl]acetamide
SYSTEMATIC NAME: N-(4-methylphenyl)-2-[4-[2-(2-phenylethylsulfanyl)ethanoyl]piperazin-1-yl]ethanamide
MOLECULAR FORMULA: C23H29N3O2S
MOLECULAR WEIGHT: 411.56026
SMILES: CC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C(=O)CSCCC3=CC=CC=C3
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Product OPENEYE NAME: N-(2-adamantyl)-2-[2-(cyclopropylamino)-2-oxo-ethyl]sulfanyl-benzamide
CAS Name: N-(2-adamantyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]thio]benzamide
IUPAC NAME: N-(2-adamantyl)-2-[2-(cyclopropylamino)-2-oxoethyl]sulfanylbenzamide
SYSTEMATIC NAME: N-(2-adamantyl)-2-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]sulfanyl-benzamide
MOLECULAR FORMULA: C22H28N2O2S
MOLECULAR WEIGHT: 384.53492
SMILES: C1CC1NC(=O)CSC2=CC=CC=C2C(=O)NC3C4CC5CC(C4)CC3C5
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Product OPENEYE NAME: 2-chloro-N-(4,5-dimethyloxazol-2-yl)benzamide
CAS Name: 2-chloro-N-(4,5-dimethyl-2-oxazolyl)benzamide
IUPAC NAME: 2-chloro-N-(4,5-dimethyl-1,3-oxazol-2-yl)benzamide
SYSTEMATIC NAME: 2-chloranyl-N-(4,5-dimethyl-1,3-oxazol-2-yl)benzamide
MOLECULAR FORMULA: C12H11ClN2O2
MOLECULAR WEIGHT: 250.68094
SMILES: CC1=C(OC(=N1)NC(=O)C2=CC=CC=C2Cl)C
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Product OPENEYE NAME: N-(4,5-dimethyloxazol-2-yl)-2-fluoro-benzamide
CAS Name: N-(4,5-dimethyl-2-oxazolyl)-2-fluorobenzamide
IUPAC NAME: N-(4,5-dimethyl-1,3-oxazol-2-yl)-2-fluorobenzamide
SYSTEMATIC NAME: N-(4,5-dimethyl-1,3-oxazol-2-yl)-2-fluoranyl-benzamide
MOLECULAR FORMULA: C12H11FN2O2
MOLECULAR WEIGHT: 234.226343
SMILES: CC1=C(OC(=N1)NC(=O)C2=CC=CC=C2F)C
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Product OPENEYE NAME: N-(4,5-dimethyloxazol-2-yl)-2-methyl-benzamide
CAS Name: N-(4,5-dimethyl-2-oxazolyl)-2-methylbenzamide
IUPAC NAME: N-(4,5-dimethyl-1,3-oxazol-2-yl)-2-methylbenzamide
SYSTEMATIC NAME: N-(4,5-dimethyl-1,3-oxazol-2-yl)-2-methyl-benzamide
MOLECULAR FORMULA: C13H14N2O2
MOLECULAR WEIGHT: 230.26246
SMILES: CC1=CC=CC=C1C(=O)NC2=NC(=C(O2)C)C
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Product OPENEYE NAME: N-(4,5-dimethyloxazol-2-yl)-3-fluoro-benzamide
CAS Name: N-(4,5-dimethyl-2-oxazolyl)-3-fluorobenzamide
IUPAC NAME: N-(4,5-dimethyl-1,3-oxazol-2-yl)-3-fluorobenzamide
SYSTEMATIC NAME: N-(4,5-dimethyl-1,3-oxazol-2-yl)-3-fluoranyl-benzamide
MOLECULAR FORMULA: C12H11FN2O2
MOLECULAR WEIGHT: 234.226343
SMILES: CC1=C(OC(=N1)NC(=O)C2=CC(=CC=C2)F)C
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Product OPENEYE NAME: N-[2-[4-(1-methylimidazole-2-carbonyl)anilino]-2-oxo-ethyl]furan-2-carboxamide
CAS Name: N-[2-[4-[(1-methyl-2-imidazolyl)-oxomethyl]anilino]-2-oxoethyl]-2-furancarboxamide
IUPAC NAME: N-[2-[4-(1-methylimidazole-2-carbonyl)anilino]-2-oxoethyl]furan-2-carboxamide
SYSTEMATIC NAME: N-[2-[[4-(1-methylimidazol-2-yl)carbonylphenyl]amino]-2-oxidanylidene-ethyl]furan-2-carboxamide
MOLECULAR FORMULA: C18H16N4O4
MOLECULAR WEIGHT: 352.34404
SMILES: CN1C=CN=C1C(=O)C2=CC=C(C=C2)NC(=O)CNC(=O)C3=CC=CO3
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